Basic information
- CAS
259753-98-5- Standard SMILES
CNC(=S)NCCCn1ccnc1- InChIKey
IKGBJMGGNGHTRK-UHFFFAOYSA-N- Molecular formula
- C8H14N4S
- Average molar mass
- 198.29 g/mol
- Monoisotopic mass
- 198.09391764
Names & identifiers
- Preferred name
- 1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea
- IUPAC
- 1-(3-imidazol-1-ylpropyl)-3-methylthiourea
Names & synonyms
1-[3-(1H-imidazol-1-yl)propyl]-3-methylthiourea259753-98-51-(3-(1H-imidazol-1-yl)propyl)-3-methylthioureaRefChem:423015841-546-71-(3-imidazol-1-ylpropyl)-3-methylthioureaSCHEMBL77540BDBM7891CHEMBL202763JKA75398VUF 5394EBC-54244
Show more names
STK395601AKOS003267308CS-0259944ST50911686G55022EN300-7435921Z45806616[(3-imidazolylpropyl)amino](methylamino)methane-1-thione
Database identifiers
- CAS
259753-98-5- PubChem CID
- 3692902
- ChEMBL
CHEMBL202763- EC Number
- 841-546-7
- Nikkaji
- J1.261.072F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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